In-Silico Structure Database (LMISSD)
Common Name
PI(15:1(9Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(9Z-pentadecenoyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06019ARS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
842.494533
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Diacylglycerophosphoinositols [GP0601]
String Representations
InChiKey (Click to copy)
NVTXXSFNXOVWBE-ZYIAMHBRSA-N
InChi (Click to copy)
InChI=1S/C44H75O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(46)56-36(34-54-37(45)32-30-28-26-24-22-16-14-12-10-8-6-4-2)35-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51/h7,9,12-15,18-19,21,23,36,39-44,47-51H,3-6,8,10-11,16-17,20,22,24-35H2,1-2H3,(H,52,53)/b9-7+,14-12-,15-13+,19-18+,23-21+/t36-,39?,40-,41?,42?,43?,44-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCC/C=C\CCCCC)=O